SCHEMBL8436643

SCHEMBL8436643

[CH2]CC(=O)NC(C)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
MLYCD O95822 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
SLC15A1 P46059 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
CNR2 P34972 2/20 0.37
KCNK3 O14649 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8433881 0.88 POLB (0.51) KMT2AMEN1FAAHMAPK1POLB
SCHEMBL15961732 0.83 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL29148042 0.82 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL23634768 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL8437959 0.79 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL14370371 0.79 FAAH (0.48) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL8437464 0.79
SCHEMBL5284893 0.78 FAAH (0.69) KMT2AMEN1FAAHMAPK1PLA2G2C
SCHEMBL5907682 0.78 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL7289286 0.78 FAAH (0.58) KMT2AMEN1FAAHMAPK1PLA2G2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
CN-1158122-A Substituted triazolinones as plant protective agents BASF AG (DE) 1997-08-27 CN disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed